CAS RN: 6311-02-0
CAS Name: N-[bis(4-aminophenyl)methylideneamino]-5-nitro-2-pyridinamine
OPENEYE Name: N-[bis(4-aminophenyl)methyleneamino]-5-nitro-pyridin-2-amine
IUPAC Name: N-[bis(4-aminophenyl)methylideneamino]-5-nitropyridin-2-amine
SYSTEMATIC NAME: N-[bis(4-aminophenyl)methylideneamino]-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C18H16N6O2
MOLECULAR WEIGHT: 348.35864
SMILES: C1=CC(=CC=C1C(=NNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N)N
Structure:
CAS RN: 1450-88-0
CAS Name: 4-mercapto-1H-pyrimidine-6-thione
OPENEYE Name: 4-sulfanyl-1H-pyrimidine-6-thione
IUPAC Name: 4-sulfanyl-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 4-sulfanyl-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C4H4N2S2
MOLECULAR WEIGHT: 144.21796
SMILES: C1=C(N=CNC1=S)S
Structure:
CAS RN: 3106-86-3
CAS Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-7-thione
OPENEYE Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-7-thione
IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-7-thione
SYSTEMATIC NAME: 2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione
MOLECULAR FORMULA: C4H3N5S
MOLECULAR WEIGHT: 153.16512
SMILES: C1=NC(=S)C2=NNNC2=N1
Structure:
CAS RN: 92953-41-8
CAS Name: 3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide
OPENEYE Name: 3,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)benzamide
IUPAC Name: 3,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)benzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)benzamide
MOLECULAR FORMULA: C18H24Cl2N2O
MOLECULAR WEIGHT: 355.30196
SMILES: CN(C1CCCCC1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 72082-29-2
CAS Name: N-[[(1-methyl-3-pyrrolyl)amino]-sulfanylidenemethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamate
IUPAC Name: ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamate
SYSTEMATIC NAME: ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamate
MOLECULAR FORMULA: C9H13N3O2S
MOLECULAR WEIGHT: 227.28342
SMILES: CCOC(=O)NC(=S)NC1=CN(C=C1)C
Structure:
CAS RN: 28082-79-3
CAS Name: 1-diazonio-2-phenazinolate
OPENEYE Name: 1-diazoniophenazin-2-olate
IUPAC Name: 1-diazoniophenazin-2-olate
SYSTEMATIC NAME: 1-diazoniophenazin-2-olate
MOLECULAR FORMULA: C12H6N4O
MOLECULAR WEIGHT: 222.20224
SMILES: C1=CC=C2C(=C1)N=C3C=CC(=C(C3=N2)[N+]#N)[O-]
Structure:
CAS RN: 21111-46-6
CAS Name: 3-amino-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-amino-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-amino-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-azanyl-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H7ClN4S
MOLECULAR WEIGHT: 226.68598
SMILES: C1=CC(=CC=C1N2C(=NNC2=S)N)Cl
Structure:
CAS RN: 57071-74-6
CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(ethylamino)-5-pyrrolo[2,3-d]pyrimidinecarbothioamide
OPENEYE Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
SYSTEMATIC NAME: 4-(ethylamino)-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C14H19N5O4S
MOLECULAR WEIGHT: 353.39676
SMILES: CCNC1=NC=NC2=C1C(=CN2C3C(C(C(O3)CO)O)O)C(=S)N
Structure:
CAS RN: 2207-98-9
CAS Name: hexyl sulfate
OPENEYE Name: hexyl sulfate
IUPAC Name: hexyl sulfate
SYSTEMATIC NAME: hexyl sulfate
MOLECULAR FORMULA: C6H13O4S-
MOLECULAR WEIGHT: 181.23002
SMILES: CCCCCCOS(=O)(=O)[O-]
Structure:
CAS RN: 59921-63-0
CAS Name: 3,5-dinitro-2-(7H-purin-6-ylthio)benzoic acid hexadecyl ester
OPENEYE Name: hexadecyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate
IUPAC Name: hexadecyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate
SYSTEMATIC NAME: hexadecyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate
MOLECULAR FORMULA: C28H38N6O6S
MOLECULAR WEIGHT: 586.70292
SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 27977-29-3
CAS Name: 2,5-diazido-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-diazido-3,6-dimethyl-1,4-benzoquinone
IUPAC Name: 2,5-diazido-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-diazido-3,6-dimethyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C8H6N6O2
MOLECULAR WEIGHT: 218.17224
SMILES: CC1=C(C(=O)C(=C(C1=O)N=[N+]=[N-])C)N=[N+]=[N-]
Structure:
CAS RN: 7505-61-5
CAS Name: 1-[butyl(ethyl)amino]-3-phenylthiourea
OPENEYE Name: 1-[butyl(ethyl)amino]-3-phenyl-thiourea
IUPAC Name: 1-[butyl(ethyl)amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[butyl(ethyl)amino]-3-phenyl-thiourea
MOLECULAR FORMULA: C13H21N3S
MOLECULAR WEIGHT: 251.39094
SMILES: CCCCN(CC)NC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 6559-87-1
CAS Name: 8-(3-hydroxypropylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 1,3-dimethyl-8-(3-oxidanylpropylsulfanyl)-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C10H14N4O2S2
MOLECULAR WEIGHT: 286.37376
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCO
Structure:
CAS RN: 4939-44-0
CAS Name: N-[(2,6-dimethyl-1-oxo-4-pyridin-1-iumylidene)amino]-2,6-dimethyl-1-oxido-4-pyridinimine
OPENEYE Name: N-[(2,6-dimethyl-1-oxo-pyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxido-pyridin-4-imine
IUPAC Name: N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imine
SYSTEMATIC NAME: N-[(2,6-dimethyl-1-oxidanylidene-pyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidanidyl-pyridin-4-imine
MOLECULAR FORMULA: C14H16N4O2
MOLECULAR WEIGHT: 272.30244
SMILES: CC1=CC(=NN=C2C=C([N+](=O)C(=C2)C)C)C=C(N1[O-])C
Structure:
CAS RN: 13515-05-4
CAS Name: 1-[4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanone
OPENEYE Name: 1-(4,6-dithioxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)ethanone
IUPAC Name: 1-[4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanone
MOLECULAR FORMULA: C7H6N4OS2
MOLECULAR WEIGHT: 226.27874
SMILES: CC(=O)N1C2=NC(=S)NC(=S)C2=CN1
Structure:
CAS RN: 6969-59-1
CAS Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid
OPENEYE Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-thioxo-butanoic acid
IUPAC Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid
SYSTEMATIC NAME: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidene-butanoic acid
MOLECULAR FORMULA: C12H10N4O6S3
MOLECULAR WEIGHT: 402.426
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=S)CCC(=O)O
Structure:
CAS RN: 672-43-5
CAS Name: 2-(trifluoromethyl)-1H-pyrimidine-6-thione
OPENEYE Name: 2-(trifluoromethyl)-1H-pyrimidine-6-thione
IUPAC Name: 2-(trifluoromethyl)-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 2-(trifluoromethyl)-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C5H3F3N2S
MOLECULAR WEIGHT: 180.15093
SMILES: C1=CN=C(NC1=S)C(F)(F)F
Structure:
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